instruction
stringlengths 41
142
| input
stringlengths 0
478
| output
stringlengths 4
382
|
|---|---|---|
List the primary functional groups present in <BB_16>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_16>.
|
**Token:** <BB_16>
**SMILES:** Fc1ccc(CCN2CCNCC2)cc1
**Molecular Formula:** C12H17FN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_17>.
|
CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl
|
|
What is the building block token for the following molecule?
|
CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl
|
<BB_17>
|
What is the molecular formula for <BB_17>?
|
The molecular formula for <BB_17> (CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl) is C11H19Cl2N3O2.
|
|
Describe the ring structures in building block <BB_17>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_17>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_17>.
|
**Token:** <BB_17>
**SMILES:** CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl
**Molecular Formula:** C11H19Cl2N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_18>.
|
Cc1nn(C(F)(F)F)c(C)c1C(=O)O
|
|
What is the building block token for the following molecule?
|
Cc1nn(C(F)(F)F)c(C)c1C(=O)O
|
<BB_18>
|
What is the molecular formula for <BB_18>?
|
The molecular formula for <BB_18> (Cc1nn(C(F)(F)F)c(C)c1C(=O)O) is C7H7F3N2O2.
|
|
Describe the ring structures in building block <BB_18>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_18>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_18>.
|
**Token:** <BB_18>
**SMILES:** Cc1nn(C(F)(F)F)c(C)c1C(=O)O
**Molecular Formula:** C7H7F3N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_19>.
|
NC(=O)c1ccnnc1
|
|
What is the building block token for the following molecule?
|
NC(=O)c1ccnnc1
|
<BB_19>
|
What is the molecular formula for <BB_19>?
|
The molecular formula for <BB_19> (NC(=O)c1ccnnc1) is C5H5N3O.
|
|
Describe the ring structures in building block <BB_19>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_19>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_19>.
|
**Token:** <BB_19>
**SMILES:** NC(=O)c1ccnnc1
**Molecular Formula:** C5H5N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide
|
|
Provide the SMILES representation for the building block token <BB_20>.
|
CC(=O)c1ccc(C#N)cc1
|
|
What is the building block token for the following molecule?
|
CC(=O)c1ccc(C#N)cc1
|
<BB_20>
|
What is the molecular formula for <BB_20>?
|
The molecular formula for <BB_20> (CC(=O)c1ccc(C#N)cc1) is C9H7NO.
|
|
Describe the ring structures in building block <BB_20>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_20>.
|
The molecule contains the following groups: Ketone, Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_20>.
|
**Token:** <BB_20>
**SMILES:** CC(=O)c1ccc(C#N)cc1
**Molecular Formula:** C9H7NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Nitrile
|
|
Provide the SMILES representation for the building block token <BB_21>.
|
Brc1ccc(CC2CNCCN2)cc1.Cl.Cl
|
|
What is the building block token for the following molecule?
|
Brc1ccc(CC2CNCCN2)cc1.Cl.Cl
|
<BB_21>
|
What is the molecular formula for <BB_21>?
|
The molecular formula for <BB_21> (Brc1ccc(CC2CNCCN2)cc1.Cl.Cl) is C11H17BrCl2N2.
|
|
Describe the ring structures in building block <BB_21>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_21>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_21>.
|
**Token:** <BB_21>
**SMILES:** Brc1ccc(CC2CNCCN2)cc1.Cl.Cl
**Molecular Formula:** C11H17BrCl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_22>.
|
C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O
|
|
What is the building block token for the following molecule?
|
C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O
|
<BB_22>
|
What is the molecular formula for <BB_22>?
|
The molecular formula for <BB_22> (C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O) is C11H9NO4.
|
|
Describe the ring structures in building block <BB_22>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_22>.
|
The molecule contains the following groups: Carboxylic Acid, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_22>.
|
**Token:** <BB_22>
**SMILES:** C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O
**Molecular Formula:** C11H9NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide
|
|
Provide the SMILES representation for the building block token <BB_23>.
|
Cc1cc(C)cc(C(C)(C)N)c1.Cl
|
|
What is the building block token for the following molecule?
|
Cc1cc(C)cc(C(C)(C)N)c1.Cl
|
<BB_23>
|
What is the molecular formula for <BB_23>?
|
The molecular formula for <BB_23> (Cc1cc(C)cc(C(C)(C)N)c1.Cl) is C11H18ClN.
|
|
Describe the ring structures in building block <BB_23>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_23>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_23>.
|
**Token:** <BB_23>
**SMILES:** Cc1cc(C)cc(C(C)(C)N)c1.Cl
**Molecular Formula:** C11H18ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_24>.
|
O=C(NO)c1cccc(C(F)(F)F)c1
|
|
What is the building block token for the following molecule?
|
O=C(NO)c1cccc(C(F)(F)F)c1
|
<BB_24>
|
What is the molecular formula for <BB_24>?
|
The molecular formula for <BB_24> (O=C(NO)c1cccc(C(F)(F)F)c1) is C8H6F3NO2.
|
|
Describe the ring structures in building block <BB_24>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_24>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_24>.
|
**Token:** <BB_24>
**SMILES:** O=C(NO)c1cccc(C(F)(F)F)c1
**Molecular Formula:** C8H6F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_25>.
|
CC1(C(=O)O)COC(c2ccccc2)OC1
|
|
What is the building block token for the following molecule?
|
CC1(C(=O)O)COC(c2ccccc2)OC1
|
<BB_25>
|
What is the molecular formula for <BB_25>?
|
The molecular formula for <BB_25> (CC1(C(=O)O)COC(c2ccccc2)OC1) is C12H14O4.
|
|
Describe the ring structures in building block <BB_25>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_25>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_25>.
|
**Token:** <BB_25>
**SMILES:** CC1(C(=O)O)COC(c2ccccc2)OC1
**Molecular Formula:** C12H14O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether
|
|
Provide the SMILES representation for the building block token <BB_26>.
|
Cl.Cl.NCCC[C@@H](N)CC(=O)O
|
|
What is the building block token for the following molecule?
|
Cl.Cl.NCCC[C@@H](N)CC(=O)O
|
<BB_26>
|
What is the molecular formula for <BB_26>?
|
The molecular formula for <BB_26> (Cl.Cl.NCCC[C@@H](N)CC(=O)O) is C6H16Cl2N2O2.
|
|
Describe the ring structures in building block <BB_26>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_26>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_26>.
|
**Token:** <BB_26>
**SMILES:** Cl.Cl.NCCC[C@@H](N)CC(=O)O
**Molecular Formula:** C6H16Cl2N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_27>.
|
CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
|
|
What is the building block token for the following molecule?
|
CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
|
<BB_27>
|
What is the molecular formula for <BB_27>?
|
The molecular formula for <BB_27> (CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1) is C9H9N5O5.
|
|
Describe the ring structures in building block <BB_27>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_27>.
|
The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_27>.
|
**Token:** <BB_27>
**SMILES:** CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
**Molecular Formula:** C9H9N5O5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro
|
|
Provide the SMILES representation for the building block token <BB_28>.
|
Cn1cc(Cl)c(C(=O)NCCN)n1
|
|
What is the building block token for the following molecule?
|
Cn1cc(Cl)c(C(=O)NCCN)n1
|
<BB_28>
|
What is the molecular formula for <BB_28>?
|
The molecular formula for <BB_28> (Cn1cc(Cl)c(C(=O)NCCN)n1) is C7H11ClN4O.
|
|
Describe the ring structures in building block <BB_28>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_28>.
|
The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_28>.
|
**Token:** <BB_28>
**SMILES:** Cn1cc(Cl)c(C(=O)NCCN)n1
**Molecular Formula:** C7H11ClN4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_29>.
|
Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1
|
|
What is the building block token for the following molecule?
|
Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1
|
<BB_29>
|
What is the molecular formula for <BB_29>?
|
The molecular formula for <BB_29> (Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1) is C13H14ClNO3S.
|
|
Describe the ring structures in building block <BB_29>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_29>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_29>.
|
**Token:** <BB_29>
**SMILES:** Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1
**Molecular Formula:** C13H14ClNO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_30>.
|
CC1(C)CC2(CCO1)CC2C(=O)O
|
|
What is the building block token for the following molecule?
|
CC1(C)CC2(CCO1)CC2C(=O)O
|
<BB_30>
|
What is the molecular formula for <BB_30>?
|
The molecular formula for <BB_30> (CC1(C)CC2(CCO1)CC2C(=O)O) is C10H16O3.
|
|
Describe the ring structures in building block <BB_30>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_30>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_30>.
|
**Token:** <BB_30>
**SMILES:** CC1(C)CC2(CCO1)CC2C(=O)O
**Molecular Formula:** C10H16O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Ether
|
|
Provide the SMILES representation for the building block token <BB_31>.
|
CC(C)[Si](C#CC=O)(C(C)C)C(C)C
|
|
What is the building block token for the following molecule?
|
CC(C)[Si](C#CC=O)(C(C)C)C(C)C
|
<BB_31>
|
What is the molecular formula for <BB_31>?
|
The molecular formula for <BB_31> (CC(C)[Si](C#CC=O)(C(C)C)C(C)C) is C12H22OSi.
|
|
Describe the ring structures in building block <BB_31>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_31>.
|
The molecule contains the following groups: Aldehyde.
|
|
Provide a comprehensive chemical profile for the building block <BB_31>.
|
**Token:** <BB_31>
**SMILES:** CC(C)[Si](C#CC=O)(C(C)C)C(C)C
**Molecular Formula:** C12H22OSi
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde
|
|
Provide the SMILES representation for the building block token <BB_32>.
|
Cc1nn(CCC#N)c(C)c1Br
|
|
What is the building block token for the following molecule?
|
Cc1nn(CCC#N)c(C)c1Br
|
<BB_32>
|
What is the molecular formula for <BB_32>?
|
The molecular formula for <BB_32> (Cc1nn(CCC#N)c(C)c1Br) is C8H10BrN3.
|
|
Describe the ring structures in building block <BB_32>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_32>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_32>.
|
**Token:** <BB_32>
**SMILES:** Cc1nn(CCC#N)c(C)c1Br
**Molecular Formula:** C8H10BrN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_33>.
|
CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1
|
|
What is the building block token for the following molecule?
|
CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1
|
<BB_33>
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.